Comparison of two O(N) methods for total-energy semi-empirical tight-binding calculation

Computational Materials Science

Volumn 10, Issue 1-4, 1998, Pages 392-394

  Chen, J ^a   Bere A ^a   Hairie, A ^a   Nouet, G ^a   Paumier, E ^a  

^a LERMAT Laboratoire d'Etude et de Recherche sur les Materiaux   (France)

Author keywords

Density matrix; Electronic energy; Forces; O(N) method; Tight binding

Indexed keywords

GERMANIUM; GRAIN BOUNDARIES; SILICON;

SEMI-EMPIRICAL METHODS; TIGHT BINDING;

QUANTUM THEORY;

EID: 0032001319     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/s0927-0256(97)00108-0     Document Type: Article

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